3-methyl-8-oxidanyl-9-(phenylmethyl)-1-prop-2-enyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione

Systemtic Name: 3-methyl-8-oxidanyl-9-(phenylmethyl)-1-prop-2-enyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 1-allyl-9-benzyl-8-hydroxy-3-methyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-3-methyl-9-(phenylmethyl)-1-prop-2-enyl-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-8-hydroxy-3-methyl-1-prop-2-enyl-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 1-allyl-9-benzyl-8-hydroxy-3-methyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC=C)C)CC4=CC=CC=C4)O

Isomeric SMILES

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC=C)C)CC4=CC=CC=C4)O

InChI

InChI=1S/C22H23N5O4/c1-4-9-15-18(28)26(13-14-10-7-6-8-11-14)21-23-17-16(27(21)19(15)29)20(30)24(3)22(31)25(17)12-5-2/h5-8,10-11,28H,2,4,9,12-13H2,1,3H3